libmcs include compound_id in csv output

User 2466ee5d97

02-06-2010 12:43:58

I'm using libmcs from the command line, is it possible to output to a csv file to include both SMILES and compound ID?

ChemAxon efa1591b5a

04-06-2010 13:07:46

I'm afraid current version of libmcs does output other data in the CSV that is not relevant for your needs. We will work on a generalisation and we'll let you know when it's available for trying.


Regards


Miklos

User 2466ee5d97

04-06-2010 16:19:10










mvargyas wrote:

I'm afraid current version of libmcs does output other data in the CSV that is not relevant for your needs. We will work on a generalisation and we'll let you know when it's available for trying.


Regards


Miklos



Many thanks